M8K

4-cyano-~{N}-[2-(piperidin-1-ylmethyl)-1~{H}-benzimidazol-5-yl]benzamide

Created:2019-10-04
Last modified:  2019-11-06

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Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count0
Bond Count51
Aromatic Bond Count16
2D diagram of M8K

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Chemical Component Summary

Name4-cyano-~{N}-[2-(piperidin-1-ylmethyl)-1~{H}-benzimidazol-5-yl]benzamide
Systematic Name (OpenEye OEToolkits)4-cyano-~{N}-[2-(piperidin-1-ylmethyl)-1~{H}-benzimidazol-5-yl]benzamide
FormulaC21 H21 N5 O
Molecular Weight359.424
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O=C(Nc1ccc2[nH]c(CN3CCCCC3)nc2c1)c4ccc(cc4)C#N
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1C#N)C(=O)Nc2ccc3c(c2)nc([nH]3)CN4CCCCC4
Canonical SMILESCACTVS3.385 O=C(Nc1ccc2[nH]c(CN3CCCCC3)nc2c1)c4ccc(cc4)C#N
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(ccc1C#N)C(=O)Nc2ccc3c(c2)nc([nH]3)CN4CCCCC4
InChIInChI1.03 InChI=1S/C21H21N5O/c22-13-15-4-6-16(7-5-15)21(27)23-17-8-9-18-19(12-17)25-20(24-18)14-26-10-2-1-3-11-26/h4-9,12H,1-3,10-11,14H2,(H,23,27)(H,24,25)
InChIKeyInChI1.03 PYUJNKLBJTZGDT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 139592539
ChEMBL CHEMBL4287247